(5E)-5-[(2-hydroxyphenyl)methylidene]-2-phenyl-3-(pyridin-4-ylmethyl)imidazol-4-one

C22H17N3O2 — CID 70689732

IUPAC(5E)-5-[(2-hydroxyphenyl)methylidene]-2-phenyl-3-(pyridin-4-ylmethyl)imidazol-4-one
SMILESO=C1/C(=C\c2ccccc2O)N=C(c2ccccc2)N1Cc1ccncc1
InChIInChI=1S/C22H17N3O2/c26-20-9-5-4-8-18(20)14-19-22(27)25(15-16-10-12-23-13-11-16)21(24-19)17-6-2-1-3-7-17/h1-14,26H,15H2/b19-14+
InChIKeyWDTUJQRFTGIYTE-XMHGGMMESA-N
MW355.40 g/mol
LogP3.62
Rot. Bonds4

About (5E)-5-[(2-hydroxyphenyl)methylidene]-2-phenyl-3-(pyridin-4-ylmethyl)imidazol-4-one

(5E)-5-[(2-hydroxyphenyl)methylidene]-2-phenyl-3-(pyridin-4-ylmethyl)imidazol-4-one (PubChem CID 70689732) has the molecular formula C22H17N3O2 and a molecular weight of 355.40 g/mol. Its IUPAC name is (5E)-5-[(2-hydroxyphenyl)methylidene]-2-phenyl-3-(pyridin-4-ylmethyl)imidazol-4-one.

Molecular Properties

Compound Name(5E)-5-[(2-hydroxyphenyl)methylidene]-2-phenyl-3-(pyridin-4-ylmethyl)imidazol-4-one
PubChem CID70689732
Molecular FormulaC22H17N3O2
Molecular Weight355.40 g/mol
Exact Mass355.13
IUPAC Name(5E)-5-[(2-hydroxyphenyl)methylidene]-2-phenyl-3-(pyridin-4-ylmethyl)imidazol-4-one
SMILESO=C1/C(=C\c2ccccc2O)N=C(c2ccccc2)N1Cc1ccncc1
InChIInChI=1S/C22H17N3O2/c26-20-9-5-4-8-18(20)14-19-22(27)25(15-16-10-12-23-13-11-16)21(24-19)17-6-2-1-3-7-17/h1-14,26H,15H2/b19-14+
InChIKeyWDTUJQRFTGIYTE-XMHGGMMESA-N
XLogP3.62
TPSA65.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.40
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (5E)-5-[(2-hydroxyphenyl)methylidene]-2-phenyl-3-(pyridin-4-ylmethyl)imidazol-4-one?
The IUPAC name of (5E)-5-[(2-hydroxyphenyl)methylidene]-2-phenyl-3-(pyridin-4-ylmethyl)imidazol-4-one (CID 70689732) is (5E)-5-[(2-hydroxyphenyl)methylidene]-2-phenyl-3-(pyridin-4-ylmethyl)imidazol-4-one.
What is the SMILES notation for (5E)-5-[(2-hydroxyphenyl)methylidene]-2-phenyl-3-(pyridin-4-ylmethyl)imidazol-4-one?
The canonical SMILES for (5E)-5-[(2-hydroxyphenyl)methylidene]-2-phenyl-3-(pyridin-4-ylmethyl)imidazol-4-one is O=C1/C(=C\c2ccccc2O)N=C(c2ccccc2)N1Cc1ccncc1.
What is the InChIKey of (5E)-5-[(2-hydroxyphenyl)methylidene]-2-phenyl-3-(pyridin-4-ylmethyl)imidazol-4-one?
The InChIKey is WDTUJQRFTGIYTE-XMHGGMMESA-N. The full InChI is InChI=1S/C22H17N3O2/c26-20-9-5-4-8-18(20)14-19-22(27)25(15-16-10-12-23-13-11-16)21(24-19)17-6-2-1-3-7-17/h1-14,26H,15H2/b19-14+.
What are the key properties of (5E)-5-[(2-hydroxyphenyl)methylidene]-2-phenyl-3-(pyridin-4-ylmethyl)imidazol-4-one?
(5E)-5-[(2-hydroxyphenyl)methylidene]-2-phenyl-3-(pyridin-4-ylmethyl)imidazol-4-one has a molecular weight of 355.40 g/mol, XLogP of 3.62, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5E)-5-[(2-hydroxyphenyl)methylidene]-2-phenyl-3-(pyridin-4-ylmethyl)imidazol-4-one is sourced from PubChem (CID 70689732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).